4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene

C10H10Cl2O — CID 14317674

IUPAC4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene
SMILESCc1ccc(O/C(Cl)=C\Cl)cc1C
InChIInChI=1S/C10H10Cl2O/c1-7-3-4-9(5-8(7)2)13-10(12)6-11/h3-6H,1-2H3/b10-6-
InChIKeyNJTMTSCZQJLUIO-POHAHGRESA-N
MW217.09 g/mol
LogP3.96
Rot. Bonds2

About 4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene

4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene (PubChem CID 14317674) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene
PubChem CID14317674
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene
SMILESCc1ccc(O/C(Cl)=C\Cl)cc1C
InChIInChI=1S/C10H10Cl2O/c1-7-3-4-9(5-8(7)2)13-10(12)6-11/h3-6H,1-2H3/b10-6-
InChIKeyNJTMTSCZQJLUIO-POHAHGRESA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene
CID 18956451
1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene
CID 88971342
1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene
CID 143190699
(3,4-dimethylphenyl) 4-chlorobenzoate
CID 723826
(3,4-dimethylphenyl) N-ethenylcarbamate
CID 71409278
(3,4-dimethylphenyl) ethyl carbonate
CID 19704470
(2R)-2-(3,4-dimethylphenoxy)propanoyl chloride
CID 51663756
(3,4-dimethylphenyl) 4-chlorobenzoate;methane
CID 159732966
2-chloro-5-(3,4-dimethylphenoxy)pyridine
CID 82225184
bis(3,4-dimethylphenyl) benzene-1,3-dicarboxylate
CID 3126003
CID 59952153
CID 59952153
4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene
CID 167001306

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene?
The IUPAC name of 4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene (CID 14317674) is 4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene?
The canonical SMILES for 4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene is Cc1ccc(O/C(Cl)=C\Cl)cc1C.
What is the InChIKey of 4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene?
The InChIKey is NJTMTSCZQJLUIO-POHAHGRESA-N. The full InChI is InChI=1S/C10H10Cl2O/c1-7-3-4-9(5-8(7)2)13-10(12)6-11/h3-6H,1-2H3/b10-6-.
What are the key properties of 4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene?
4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene has a molecular weight of 217.09 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene is sourced from PubChem (CID 14317674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).